SCHEMBL12953926

SCHEMBL12953926

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.52
▸ NAMPT P43490 6/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14307160 0.93 GSK3B (0.51) GSK3BNAMPTKMT2ACHEK1CYP2C9
SCHEMBL13120522 0.91 GSK3B (0.65) GSK3B
SCHEMBL14607249 0.91 GSK3B (0.55) GSK3BNAMPTCHEK1CYP2C9LMNA
SCHEMBL14418840 0.90 GSK3B (0.53) GSK3BNAMPTCHEK1CYP2C9LMNA
SCHEMBL12954082 0.90 GSK3B (0.53) GSK3BNAMPTKMT2ACHEK1CYP2C9
SCHEMBL12954475 0.90 GSK3B (0.58) GSK3BNAMPTCHEK1CYP2C9LMNA
SCHEMBL13289097 0.89 GSK3B (0.59) GSK3BNAMPTCHEK1LMNA
SCHEMBL14545841 0.88 GSK3B (0.56) GSK3BNAMPTKMT2ACHEK1CYP2C9
SCHEMBL13289015 0.88 GSK3B (0.54) GSK3BNAMPTCHEK1CYP2C9
SCHEMBL13288870 0.88 GSK3B (0.56) GSK3BNAMPTCHEK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — US disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-03-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885NAMPT 579/4885KMT2A 1221/4885
US-20070054906-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A GSK3B 695/4885NAMPT 579/4885KMT2A 1221/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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